ethyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-phenyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyano-2-phenyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C30H25BrN2O3S MolecularWeight: 573.5001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C#N)SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C30H25BrN2O3S/c1-3-36-30(35)27-26(21-11-9-19(2)10-12-21)24(17-32)29(33-28(27)22-7-5-4-6-8-22)37-18-25(34)20-13-15-23(31)16-14-20/h4-16,26,33H,3,18H2,1-2H3